NP-MRD: Showing NP-Card for (2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester (NP0074841)

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Record Information

Version

2.0

Created at

2022-04-28 20:09:45 UTC

Updated at

2022-04-28 20:09:45 UTC

NP-MRD ID

NP0074841

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester

Description

(E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. (2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester is found in Passiflora quadrangularis . Based on a literature review very few articles have been published on (E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 46 46  0  0  0  0  0  0  0  0999 V2000
    6.5571    0.7350   -1.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5452    0.2289   -0.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7051   -1.1010    0.4569 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4807    0.9569    0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4396    0.5244    1.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0650    0.3914    0.5860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5474    0.5896   -0.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4129    1.0215   -1.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0859    0.3823   -0.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3585    0.5853   -1.9674 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7633   -0.0124    0.1680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1464   -0.2230    0.0172 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9086    0.7011    0.7450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1979    0.6326    0.2616 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0382    1.8209    0.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1778    2.0128    1.9728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8371   -0.6839    0.6228 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.1661   -0.7100    0.2174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0238   -1.7599   -0.1029 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5174   -3.0301    0.1462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5992   -1.5921    0.4032 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7711   -2.6080   -0.0502 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8918   -0.0889   -1.7667 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4831    1.0886   -0.5662 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1301    1.5860   -1.6770 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7163   -1.0712    1.5659 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9168   -1.8034    0.0826 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6755   -1.5632    0.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4160    1.9425   -0.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5031    1.1936    1.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7391   -0.4858    1.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3073    0.0632    1.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2893    0.3956   -1.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5890    2.1172   -1.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7696    0.8600   -2.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3788    0.0015   -1.0645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1119    0.6334   -0.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0582    1.6367    0.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6376    2.6928    0.0713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5923    2.9136    2.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7119   -0.8827    1.6973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6983   -0.3814    1.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0413   -1.4881   -1.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7649   -3.6703    0.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6575   -1.6595    1.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1076   -2.8925    0.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 12  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  3 26  1  0
  3 27  1  0
  3 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  6 32  1  0
  8 33  1  0
  8 34  1  0
  8 35  1  0
 12 36  1  6
 14 37  1  6
 15 38  1  0
 15 39  1  0
 16 40  1  0
 17 41  1  1
 18 42  1  0
 19 43  1  6
 20 44  1  0
 21 45  1  1
 22 46  1  0
M  END


  Mrv1652304282222092D          

 22 22  0  0  1  0            999 V2000
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  4 11  1  0  0  0  0
 12  1  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 12 17  1  0  0  0  0
 16 18  1  1  0  0  0
 18 19  1  0  0  0  0
 15 20  1  6  0  0  0
 14 21  1  1  0  0  0
 13 22  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0074841

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CC\C=C(/C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C15H24O7/c1-8(2)5-4-6-9(3)14(20)22-15-13(19)12(18)11(17)10(7-16)21-15/h5-6,10-13,15-19H,4,7H2,1-3H3/b9-6+/t10-,11-,12+,13-,15+/m1/s1

> <INCHI_KEY>
BHPXBBXWEPCSOK-OIZISVETSA-N

> <FORMULA>
C15H24O7

> <MOLECULAR_WEIGHT>
316.35

> <EXACT_MASS>
316.152203113

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
46

> <JCHEM_AVERAGE_POLARIZABILITY>
32.66938547812186

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-2,6-dimethylhepta-2,5-dienoate

> <ALOGPS_LOGP>
0.07

> <JCHEM_LOGP>
0.4955436266666667

> <ALOGPS_LOGS>
-1.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.194438956534999

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.195723157323588

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981093822895178

> <JCHEM_POLAR_SURFACE_AREA>
116.45000000000002

> <JCHEM_REFRACTIVITY>
78.95479999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.04e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-2,6-dimethylhepta-2,5-dienoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       4.001   3.850   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001   8.470   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   9.240   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.668   8.470   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.002   9.240   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.668   6.930   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
CONECT    1    2   12                                                       
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   11                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    4                                                            
CONECT   12    1   13   17                                                  
CONECT   13   12   14   22                                                  
CONECT   14   13   15   21                                                  
CONECT   15   14   16   20                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16   12                                                       
CONECT   18   16   19                                                       
CONECT   19   18                                                            
CONECT   20   15                                                            
CONECT   21   14                                                            
CONECT   22   13                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END

View in JSmol

Synonyms

Value	Source
(e)-2,6-Dimethyl-2,5-heptadienoate b-D-glucopyranosyl ester	Generator
(e)-2,6-Dimethyl-2,5-heptadienoate beta-D-glucopyranosyl ester	Generator
(e)-2,6-Dimethyl-2,5-heptadienoate β-D-glucopyranosyl ester	Generator
(e)-2,6-Dimethyl-2,5-heptadienoic acid b-D-glucopyranosyl ester	Generator
(e)-2,6-Dimethyl-2,5-heptadienoic acid β-D-glucopyranosyl ester	Generator

Chemical Formula

C₁₅H₂₄O₇

Average Mass

316.3500 Da

Monoisotopic Mass

316.15220 Da

IUPAC Name

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-2,6-dimethylhepta-2,5-dienoate

Traditional Name

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E)-2,6-dimethylhepta-2,5-dienoate

CAS Registry Number

Not Available

SMILES

CC(C)=CC\C=C(/C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C15H24O7/c1-8(2)5-4-6-9(3)14(20)22-15-13(19)12(18)11(17)10(7-16)21-15/h5-6,10-13,15-19H,4,7H2,1-3H3/b9-6+/t10-,11-,12+,13-,15+/m1/s1

InChI Key

BHPXBBXWEPCSOK-OIZISVETSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Passiflora quadrangularis	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Hexoses

Alternative Parents

Substituents

Hexose monosaccharide
Fatty acid ester
Fatty acyl
Oxane
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Secondary alcohol
Acetal
Carboxylic acid derivative
Oxacycle
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Carbonyl group
Alcohol
Organic oxide
Primary alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	0.07	ALOGPS
logP	0.5	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Acidic)	12.2	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	116.45 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	78.95 m³·mol⁻¹	ChemAxon
Polarizability	32.67 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

103884554

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101022925

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for (2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester (NP0074841)

MOL for NP0074841 ((2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester)

3D MOL for NP0074841 ((2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester)

3D SDF for NP0074841 ((2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester)

3D-SDF for NP0074841 ((2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester)

PDB for NP0074841 ((2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester)

3D PDB for NP0074841 ((2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester)

SMILES for NP0074841 ((2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester)

INCHI for NP0074841 ((2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester)

Structure for NP0074841 ((2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester)

3D Structure for NP0074841 ((2E)-2,6-Dimethyl-2,5-heptadienoic acid beta-D-glucopyranosyl ester)